4-(1,3-Benzodioxol-5-ylmethyl)-γ-oxo-1-piperazinebutanoic acid

CAS Registry Number®

620931-01-3
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CAS Name

4-(1,3-Benzodioxol-5-ylmethyl)-γ-oxo-1-piperazinebutanoic acid

Molecular Formula

C16H20N2O5

Molecular Mass

320.34

Cite this Page

4-(1,3-Benzodioxol-5-ylmethyl)-γ-oxo-1-piperazinebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=620931-01-3 (retrieved 2024-08-14) (CAS RN: 620931-01-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H20N2O5/c19-15(3-4-16(20)21)18-7-5-17(6-8-18)10-12-1-2-13-14(9-12)23-11-22-13/h1-2,9H,3-8,10-11H2,(H,20,21)

InChIKey

InChIKey=HEXADDRAWPRQIP-UHFFFAOYSA-N

SMILES

C(C=1C=C2C(=CC1)OCO2)N3CCN(C(CCC(O)=O)=O)CC3

Canonical SMILES

O=C(O)CCC(=O)N1CCN(CC2=CC=C3OCOC3=C2)CC1

Other Names for this Substance

  • 1-Piperazinebutanoic acid, 4-(1,3-benzodioxol-5-ylmethyl)-γ-oxo-
  • 4-(1,3-Benzodioxol-5-ylmethyl)-γ-oxo-1-piperazinebutanoic acid